Hydrogenation of graphene nanoflakes and C–H bond dissociation of hydrogenated graphene nanoflakes: a density functional theory study

Density Functional ◽

Functional Theory ◽

Bond Dissociation ◽

Graphene Nanoflakes ◽

Hydrogenated Graphene

Mechanism of Li storage on graphene nanoflakes: Density functional theory study

Surface Science ◽

10.1016/j.susc.2019.121489 ◽

2020 ◽

Vol 691 ◽

pp. 121489

Author(s):

Hiroto Tachikawa

Keyword(s):

Density Functional ◽

Functional Theory ◽

Graphene Nanoflakes ◽

Li Storage

Density Functional Theory Study of the d10Series (H3P)3M(η1-SO2) and (MenPh3-nP)3M(η1-SO2) (M = Ni, Pd, Pt;n= 0−3): SO2Pyramidality and M−S Bond Dissociation Energies

Inorganic Chemistry ◽

10.1021/ic030229q ◽

2004 ◽

Vol 43 (3) ◽

pp. 1116-1121 ◽

Cited By ~ 7

Author(s):

Daniel J. Brust ◽

Thomas M. Gilbert

Keyword(s):

Density Functional ◽

Bond Dissociation Energies ◽

Functional Theory ◽

Bond Dissociation ◽

Dissociation Energies

Methyl radical addition to the surface of graphene nanoflakes: A density functional theory study

Surface Science ◽

10.1016/j.susc.2018.09.013 ◽

2019 ◽

Vol 679 ◽

pp. 196-201

Author(s):

Hiroto Tachikawa

Keyword(s):

Density Functional ◽

Radical Addition ◽

Methyl Radical ◽

Functional Theory ◽

Graphene Nanoflakes

Density functional theory study on bond dissociation energy of polystyrene trimer model compound

IOP Conference Series Materials Science and Engineering ◽

10.1088/1757-899x/729/1/012018 ◽

2020 ◽

Vol 729 ◽

pp. 012018

Author(s):

Jinbao Huang ◽

Hanxian Meng ◽

Xiaocai Cheng ◽

Guiying Pan ◽

Xunming Cai ◽

...

Keyword(s):

Bond Dissociation Energy ◽

Dissociation Energy ◽

Density Functional ◽

Model Compound ◽

Functional Theory ◽

Bond Dissociation

Density functional theory study on bond dissociation enthalpies for lignin dimer model compounds

Journal of Renewable and Sustainable Energy ◽

10.1063/1.4880213 ◽

2014 ◽

Vol 6 (3) ◽

pp. 033116 ◽

Cited By ~ 8

Author(s):

Jinbao Huang ◽

Chao Liu ◽

Qiujing Jin ◽

Hong Tong ◽

Weimin Li ◽

...

Keyword(s):

Density Functional ◽

Model Compounds ◽

Functional Theory ◽

Dimer Model ◽

Bond Dissociation

High level ab initio and density functional theory study of bond dissociation energy and enthalpy of formation for hypochloric and hypobromic acids

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(98)00491-6 ◽

1999 ◽

Vol 467 (2) ◽

pp. 173-179 ◽

Cited By ~ 2

Author(s):

Branko S. Jursic

Keyword(s):

Ab Initio ◽

Enthalpy Of Formation ◽

Bond Dissociation Energy ◽

Dissociation Energy ◽

Density Functional ◽

Functional Theory ◽

Bond Dissociation ◽

High Level

Density functional theory study of the vibrational properties of hydrogenated graphene

Solid State Communications ◽

10.1016/j.ssc.2012.12.021 ◽

2013 ◽

Vol 157 ◽

pp. 24-28 ◽

Cited By ~ 10

Author(s):

X.H. Zhou ◽

Y. Huang ◽

X.S. Chen ◽

W. Lu

Keyword(s):

Density Functional ◽

Vibrational Properties ◽

Functional Theory ◽

Hydrogenated Graphene

Hydrogen atom addition to the surface of graphene nanoflakes: A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2016.11.158 ◽

2017 ◽

Vol 396 ◽

pp. 1335-1342 ◽

Cited By ~ 15

Author(s):

Hiroto Tachikawa

Keyword(s):

Hydrogen Atom ◽

Density Functional ◽

Functional Theory ◽

Graphene Nanoflakes

Antioxidant activity of phenolic and related compounds: a density functional theory study on the O–H bond dissociation enthalpy

Redox Report ◽

10.1179/135100004225006038 ◽

2004 ◽

Vol 9 (5) ◽

pp. 263-269 ◽

Cited By ~ 38

Author(s):

Cristiano Giacomelli ◽

Fabio da Silva Miranda ◽

Norberto Sanches Gonçalves ◽

Almir Spinelli

Keyword(s):

Antioxidant Activity ◽

Density Functional ◽

Bond Dissociation Enthalpy ◽

Functional Theory ◽

Bond Dissociation ◽

Dissociation Enthalpy ◽

Related Compounds

Syntheses and structures of eight-semi-coordinate M(II) (M=Mn, Fe, Co, Ni, Cu, Zn) complexes and density functional theory study of bond dissociation energies for the MO semi coordinate bonds

Inorganic Chemistry Communications ◽

10.1016/j.inoche.2012.10.033 ◽

2013 ◽

Vol 27 ◽

pp. 114-118 ◽

Cited By ~ 5

Author(s):

Xiao-Zeng Li ◽

Xiao-Jian Kong ◽

Chang-Qing Li ◽

Hao Qu ◽

Li-Na Zhu ◽

...

Keyword(s):

Density Functional ◽

Bond Dissociation Energies ◽

Functional Theory ◽

Bond Dissociation ◽

Dissociation Energies